COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.203   0.753   3.655  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.641   0.565   3.917  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.679  -0.458   3.008  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.848  -1.459   2.896  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.833  -0.970   3.990  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.151  -0.131   1.635  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.617   0.799   1.012  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.162  -0.872   1.098  1.00  0.00           N  
HETATM    9  C   UNL     1       0.350  -0.554  -0.236  1.00  0.00           C  
HETATM   10  C   UNL     1       1.824  -0.953  -0.324  1.00  0.00           C  
HETATM   11  C   UNL     1       2.625  -0.182   0.726  1.00  0.00           C  
HETATM   12  C   UNL     1       4.099  -0.581   0.638  1.00  0.00           C  
HETATM   13  N   UNL     1       4.866   0.157   1.644  1.00  0.00           N  
HETATM   14  C   UNL     1       6.223  -0.037   1.755  1.00  0.00           C  
HETATM   15  N   UNL     1       6.826  -0.879   0.964  1.00  0.00           N  
HETATM   16  N   UNL     1       6.942   0.655   2.699  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.923  -2.390  -0.995  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.182   0.394  -3.100  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.620  -0.749  -2.617  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.501  -1.436  -4.013  1.00  0.00           S  
HETATM   21  C   UNL     1      -0.417   0.787  -4.354  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.188  -0.104  -5.145  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.518   0.165  -6.453  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.089   1.343  -7.032  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.331   2.236  -6.283  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   1.983  -4.991  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.463  -1.472   5.276  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.488   1.856   3.954  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.158   3.032   4.615  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.304   1.901   3.691  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.438  -1.314  -1.271  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.918   1.027   4.865  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.233   0.983   3.103  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.883  -0.884   3.619  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.511  -2.474   3.107  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.308  -1.401   1.909  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.859  -1.247   3.745  1.00  0.00           H  
HETATM   38  H   UNL     1       0.209  -1.617   1.596  1.00  0.00           H  
HETATM   39  H   UNL     1       0.251   0.515  -0.417  1.00  0.00           H  
HETATM   40  H   UNL     1       1.922  -2.023  -0.143  1.00  0.00           H  
HETATM   41  H   UNL     1       2.206  -0.716  -1.317  1.00  0.00           H  
HETATM   42  H   UNL     1       2.527   0.887   0.545  1.00  0.00           H  
HETATM   43  H   UNL     1       2.243  -0.419   1.720  1.00  0.00           H  
HETATM   44  H   UNL     1       4.198  -1.651   0.819  1.00  0.00           H  
HETATM   45  H   UNL     1       4.481  -0.344  -0.354  1.00  0.00           H  
HETATM   46  H   UNL     1       4.417   0.783   2.233  1.00  0.00           H  
HETATM   47  H   UNL     1       7.783  -1.017   1.041  1.00  0.00           H  
HETATM   48  H   UNL     1       7.899   0.517   2.777  1.00  0.00           H  
HETATM   49  H   UNL     1       6.493   1.281   3.288  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.106  -0.538  -7.022  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.339   1.568  -8.058  1.00  0.00           H  
HETATM   52  H   UNL     1       0.000   3.156  -6.741  1.00  0.00           H  
HETATM   53  H   UNL     1       0.591   2.702  -4.442  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.050  -1.052   5.919  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.426   3.824   4.777  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.957   3.403   3.973  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.576   2.722   5.572  1.00  0.00           H  
CONECT    1    2    3   28                                            
CONECT    2    1    5   32   33                                       
CONECT    3    1    4    6   34                                       
CONECT    4    3    5   35   36                                       
CONECT    5    2    4   27   37                                       
CONECT    6    3    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   38                                            
CONECT    9    8   10   31   39                                       
CONECT   10    9   11   40   41                                       
CONECT   11   10   12   42   43                                       
CONECT   12   11   13   44   45                                       
CONECT   13   12   14   46                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   47                                            
CONECT   16   14   48   49                                            
CONECT   17   31   31                                                 
CONECT   18   19   19   21                                            
CONECT   19   18   18   20   31                                       
CONECT   20   19   22                                                 
CONECT   21   18   22   22   26                                       
CONECT   22   20   21   21   23                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   52                                       
CONECT   26   21   25   25   53                                       
CONECT   27    5   54                                                 
CONECT   28    1   29   30   30                                       
CONECT   29   28   55   56   57                                       
CONECT   30   28   28                                                 
CONECT   31    9   17   17   19                                       
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
